4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile

C8H5F2IN2O — CID 130077521

IUPAC4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1c(CO)ncc(I)c1C(F)F
InChIInChI=1S/C8H5F2IN2O/c9-8(10)7-4(1-12)6(3-14)13-2-5(7)11/h2,8,14H,3H2
InChIKeyZZXSEGUOIWRHCP-UHFFFAOYSA-N
MW310.04 g/mol
LogP1.99
Rot. Bonds2

About 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile

4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile (PubChem CID 130077521) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
PubChem CID130077521
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1c(CO)ncc(I)c1C(F)F
InChIInChI=1S/C8H5F2IN2O/c9-8(10)7-4(1-12)6(3-14)13-2-5(7)11/h2,8,14H,3H2
InChIKeyZZXSEGUOIWRHCP-UHFFFAOYSA-N
XLogP1.99
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130078916
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
CID 130077533
3-(difluoromethyl)-2-fluoro-5-iodopyridine-4-carbonitrile
CID 118799460
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820101
[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130087709
5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130108971
2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118831356
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130079114

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile (CID 130077521) is 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile is N#Cc1c(CO)ncc(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile?
The InChIKey is ZZXSEGUOIWRHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c9-8(10)7-4(1-12)6(3-14)13-2-5(7)11/h2,8,14H,3H2.
What are the key properties of 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile?
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile has a molecular weight of 310.04 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile is sourced from PubChem (CID 130077521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).